Friday, February 3, 2012

All Chemical Compounds Information




Product OPENEYE NAME: ethyl 2-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]benzothiophene-3-carboxylate
CAS Name: 2-[[[2-(2,4-dimethylphenyl)-4-quinolinyl]-oxomethyl]amino]-1-benzothiophene-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl 2-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]-1-benzothiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-[[2-(2,4-dimethylphenyl)quinolin-4-yl]carbonylamino]-1-benzothiophene-3-carboxylate
MOLECULAR FORMULA: C29H24N2O3S
MOLECULAR WEIGHT: 480.57746
SMILES: CCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=C(C=C(C=C5)C)C
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Product OPENEYE NAME: 2-(4-ethoxyphenyl)-N-[4-(4-isopropylphenyl)thiazol-2-yl]quinoline-4-carboxamide
CAS Name: 2-(4-ethoxyphenyl)-N-[4-(4-propan-2-ylphenyl)-2-thiazolyl]-4-quinolinecarboxamide
IUPAC NAME: 2-(4-ethoxyphenyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
SYSTEMATIC NAME: 2-(4-ethoxyphenyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
MOLECULAR FORMULA: C30H27N3O2S
MOLECULAR WEIGHT: 493.61928
SMILES: CCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NC(=CS4)C5=CC=C(C=C5)C(C)C
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Product OPENEYE NAME: methyl 2-[[2-(4-ethoxyphenyl)quinoline-4-carbonyl]amino]-4-(p-tolyl)thiophene-3-carboxylate
CAS Name: 2-[[[2-(4-ethoxyphenyl)-4-quinolinyl]-oxomethyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid methyl ester
IUPAC NAME: methyl 2-[[2-(4-ethoxyphenyl)quinoline-4-carbonyl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate
SYSTEMATIC NAME: methyl 2-[[2-(4-ethoxyphenyl)quinolin-4-yl]carbonylamino]-4-(4-methylphenyl)thiophene-3-carboxylate
MOLECULAR FORMULA: C31H26N2O4S
MOLECULAR WEIGHT: 522.61414
SMILES: CCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C(=CS4)C5=CC=C(C=C5)C)C(=O)OC
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Product OPENEYE NAME: [2-(4-ethoxyphenyl)-4-quinolyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CAS Name: [2-(4-ethoxyphenyl)-4-quinolinyl]-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methanone
IUPAC NAME: [2-(4-ethoxyphenyl)quinolin-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SYSTEMATIC NAME: [2-(4-ethoxyphenyl)quinolin-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
MOLECULAR FORMULA: C29H26F3N3O2
MOLECULAR WEIGHT: 505.53085
SMILES: CCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)C5=CC=CC(=C5)C(F)(F)F
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Product OPENEYE NAME: 2-(2,4-dimethoxyphenyl)-N-(2-phenoxyphenyl)quinoline-4-carboxamide
CAS Name: 2-(2,4-dimethoxyphenyl)-N-(2-phenoxyphenyl)-4-quinolinecarboxamide
IUPAC NAME: 2-(2,4-dimethoxyphenyl)-N-(2-phenoxyphenyl)quinoline-4-carboxamide
SYSTEMATIC NAME: 2-(2,4-dimethoxyphenyl)-N-(2-phenoxyphenyl)quinoline-4-carboxamide
MOLECULAR FORMULA: C30H24N2O4
MOLECULAR WEIGHT: 476.52256
SMILES: COC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=CC=C4OC5=CC=CC=C5)OC
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Product OPENEYE NAME: 3-(3-chloro-4-methoxy-phenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-(1-methyl-4-piperidyl)thiourea
CAS Name: 3-(3-chloro-4-methoxyphenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-(1-methyl-4-piperidinyl)thiourea
IUPAC NAME: 3-(3-chloro-4-methoxyphenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-(1-methylpiperidin-4-yl)thiourea
SYSTEMATIC NAME: 3-(3-chloranyl-4-methoxy-phenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-(1-methylpiperidin-4-yl)thiourea
MOLECULAR FORMULA: C24H32ClN3O3S
MOLECULAR WEIGHT: 478.04718
SMILES: CN1CCC(CC1)N(CCC2=CC(=C(C=C2)OC)OC)C(=S)NC3=CC(=C(C=C3)OC)Cl
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Product OPENEYE NAME: 2,2,2-trichloro-N-[[3-[3-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]acetamide
CAS Name: 2,2,2-trichloro-N-[[3-[3-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]acetamide
IUPAC NAME: 2,2,2-trichloro-N-[[3-[3-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]acetamide
SYSTEMATIC NAME: 2,2,2-tris(chloranyl)-N-[[3-[3-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]ethanamide
MOLECULAR FORMULA: C38H45Cl3N2O4
MOLECULAR WEIGHT: 700.1339
SMILES: CC1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC=CC(=C3)C4=CC(=CC=C4)CNC(=O)C(Cl)(Cl)Cl)CN5CC6(CC5CC(C6)(C)C)C
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Product OPENEYE NAME: N-[[3-[4-[4-[4-(hydroxymethyl)phenyl]-6-[[(2-hydroxy-1-methyl-2-phenyl-ethyl)-methyl-amino]methyl]-5-methyl-1,3-dioxan-2-yl]phenyl]phenyl]methyl]acetamide
CAS Name: N-[[3-[4-[4-[4-(hydroxymethyl)phenyl]-6-[[(1-hydroxy-1-phenylpropan-2-yl)-methylamino]methyl]-5-methyl-1,3-dioxan-2-yl]phenyl]phenyl]methyl]acetamide
IUPAC NAME: N-[[3-[4-[4-[4-(hydroxymethyl)phenyl]-6-[[(1-hydroxy-1-phenylpropan-2-yl)-methylamino]methyl]-5-methyl-1,3-dioxan-2-yl]phenyl]phenyl]methyl]acetamide
SYSTEMATIC NAME: N-[[3-[4-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[[methyl-(1-oxidanyl-1-phenyl-propan-2-yl)amino]methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]ethanamide
MOLECULAR FORMULA: C38H44N2O5
MOLECULAR WEIGHT: 608.76636
SMILES: CC1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)C4=CC(=CC=C4)CNC(=O)C)CN(C)C(C)C(C5=CC=CC=C5)O
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Product OPENEYE NAME: 5-[[3-[3-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-dioxan-2-yl]phenyl]phenyl]methylamino]-5-oxo-pentanoic acid
CAS Name: 5-[[3-[3-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[[(1-phenyl-5-tetrazolyl)thio]methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methylamino]-5-oxopentanoic acid
IUPAC NAME: 5-[[3-[3-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-dioxan-2-yl]phenyl]phenyl]methylamino]-5-oxopentanoic acid
SYSTEMATIC NAME: 5-[[3-[3-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1,3-dioxan-2-yl]phenyl]phenyl]methylamino]-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C38H39N5O6S
MOLECULAR WEIGHT: 693.81116
SMILES: CC1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC=CC(=C3)C4=CC(=CC=C4)CNC(=O)CCCC(=O)O)CSC5=NN=NN5C6=CC=CC=C6
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Product OPENEYE NAME: 4-[[3-[4-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methylamino]-4-oxo-butanoic acid
CAS Name: 4-[[3-[4-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[[4-(4-nitrophenyl)-1-piperazinyl]methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methylamino]-4-oxobutanoic acid
IUPAC NAME: 4-[[3-[4-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methylamino]-4-oxobutanoic acid
SYSTEMATIC NAME: 4-[[3-[4-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methylamino]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C40H44N4O8
MOLECULAR WEIGHT: 708.79936
SMILES: CC1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)C4=CC(=CC=C4)CNC(=O)CCC(=O)O)CN5CCN(CC5)C6=CC=C(C=C6)[N+](=O)[O-]
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Product OPENEYE NAME: benzyl N-[1-[3-[4-[(4,5-diphenyloxazol-2-yl)sulfanylmethyl]-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl]phenyl]-2,5-dioxo-pyrrolidin-3-yl]carbamate
CAS Name: N-[1-[3-[4-[[(4,5-diphenyl-2-oxazolyl)thio]methyl]-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl]phenyl]-2,5-dioxo-3-pyrrolidinyl]carbamic acid (phenylmethyl) ester
IUPAC NAME: benzyl N-[1-[3-[4-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanylmethyl]-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl]phenyl]-2,5-dioxopyrrolidin-3-yl]carbamate
SYSTEMATIC NAME: (phenylmethyl) N-[1-[3-[4-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanylmethyl]-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl]phenyl]-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamate
MOLECULAR FORMULA: C46H41N3O8S
MOLECULAR WEIGHT: 795.89804
SMILES: CC1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC(=CC=C3)N4C(=O)CC(C4=O)NC(=O)OCC5=CC=CC=C5)CSC6=NC(=C(O6)C7=CC=CC=C7)C8=CC=CC=C8
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Product OPENEYE NAME: 1-[[2-[4-[4-[4-(hydroxymethyl)phenyl]-6-[(3-hydroxypyrrolidin-1-yl)methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]-3-(4-phenoxyphenyl)urea
CAS Name: 1-[[2-[4-[4-[4-(hydroxymethyl)phenyl]-6-[(3-hydroxy-1-pyrrolidinyl)methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]-3-(4-phenoxyphenyl)urea
IUPAC NAME: 1-[[2-[4-[4-[4-(hydroxymethyl)phenyl]-6-[(3-hydroxypyrrolidin-1-yl)methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]-3-(4-phenoxyphenyl)urea
SYSTEMATIC NAME: 1-[[2-[4-[4-[4-(hydroxymethyl)phenyl]-6-[(3-oxidanylpyrrolidin-1-yl)methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]-3-(4-phenoxyphenyl)urea
MOLECULAR FORMULA: C42H43N3O6
MOLECULAR WEIGHT: 685.80732
SMILES: C1CN(CC1O)CC2CC(OC(O2)C3=CC=C(C=C3)C4=CC=CC=C4CNC(=O)NC5=CC=C(C=C5)OC6=CC=CC=C6)C7=CC=C(C=C7)CO
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Product OPENEYE NAME: N-[[3-[4-[4-(azocan-1-ylmethyl)-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]-2,3,4,5,6-pentafluoro-benzamide
CAS Name: N-[[3-[4-[4-(1-azocanylmethyl)-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]-2,3,4,5,6-pentafluorobenzamide
IUPAC NAME: N-[[3-[4-[4-(azocan-1-ylmethyl)-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]-2,3,4,5,6-pentafluorobenzamide
SYSTEMATIC NAME: N-[[3-[4-[4-(azocan-1-ylmethyl)-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]-2,3,4,5,6-pentakis(fluoranyl)benzamide
MOLECULAR FORMULA: C39H39F5N2O4
MOLECULAR WEIGHT: 694.729976
SMILES: C1CCCN(CCC1)CC2CC(OC(O2)C3=CC=C(C=C3)C4=CC(=CC=C4)CNC(=O)C5=C(C(=C(C(=C5F)F)F)F)F)C6=CC=C(C=C6)CO
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